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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:jacobine N-oxide
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Accession:CHEBI:136451 term browser browse the term
Definition:A pyrrolizine alkaloid that is jacobine in which the tertiary amino function has been oxidised to the corresponding N-oxide.
Synonyms:exact_synonym: (3S,3'S,5R,6R,14aR,14bR)-6-hydroxy-3',5,6-trimethyl-12-oxo-5,6,11,12,13,14,14a,14b-octahydro-2H,9H-spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3,2'-oxirane]-2,7(4H)-dione
 related_synonym: Formula=C18H25NO7;   InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+,19?/m1/s1;   InChIKey=NKRQJWQYBNTAEV-SAJQNFQWSA-N;   SMILES=[C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@]([C@@H](C2)C)(C)O)=O)(CC3)[O-])[H])=O
 xref: PMID:28267991;   Reaxys:20340584



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Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        pesticide 17927
          insecticide 16499
            jacobine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic molecule 19680
                              organic cyclic compound 19492
                                organic heterocyclic compound 18854
                                  organic heteromonocyclic compound 17802
                                    saturated organic heteromonocyclic parent 11295
                                      oxirane 11275
                                        epoxide 11274
                                          spiro-epoxide 25
                                            jacobine N-oxide 0
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